N,1-bis(4-fluorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide
TL;DR: N,1-bis(4-fluorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide (CAS 338398-04-2) is a chemical compound with molecular formula C16H12F2N4O and molecular weight 314.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,1-bis(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
Also Known As: 2H-316S, N,1-bis(4-fluorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide, N,1-bis(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
| Molecular Formula | C16H12F2N4O |
|---|---|
| Molecular Weight | 314.10 g/mol |
| LogP | 3.10622 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.09793 |
| Heavy Atoms | 23 |
| Complexity | 841.5217 |
Chemical Identifiers
| CAS Number | 338398-04-2 |
|---|---|
| SMILES | CC1=NC(=NN1C2=CC=C(C=C2)F)C(=O)NC3=CC=C(C=C3)F |
Product Overview
N,1-bis(4-fluorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide (CAS 338398-04-2), with molecular formula C16H12F2N4O and molecular weight 314.10 g/mol. IUPAC: N,1-bis(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide.
Chemical Property Profile of N,1-bis(4-fluorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide
Property Insights of N,1-bis(4-fluorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide
The XLogP value of 3.10622 indicates that N,1-bis(4-fluorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, N,1-bis(4-fluorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,1-bis(4-fluorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N,1-bis(4-fluorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide?
The CAS number of N,1-bis(4-fluorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide is 338398-04-2.
What is the molecular formula of N,1-bis(4-fluorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide?
The molecular formula of N,1-bis(4-fluorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide is C16H12F2N4O.
What is the molecular weight of N,1-bis(4-fluorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide?
The molecular weight of N,1-bis(4-fluorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide is 314.10 g/mol.
Where can I buy N,1-bis(4-fluorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide?
You can request a quote for N,1-bis(4-fluorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,1-bis(4-fluorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N,1-bis(4-fluorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.